CID 10320815

Broussonol b

Structural Information

Molecular Formula
C25H24O7
SMILES
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)(C)C
InChI
InChI=1S/C25H24O7/c1-11-25(4,5)18-16(30-11)10-14(26)17-19(28)20(29)22(31-23(17)18)13-8-12-6-7-24(2,3)32-21(12)15(27)9-13/h6-11,26-27,29H,1-5H3
InChIKey
WYEJSRSJEMZHNA-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

436.1522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 203.3
[M+Na]+ 459.14142 216.2
[M-H]- 435.14492 213.0
[M+NH4]+ 454.18602 216.7
[M+K]+ 475.11536 214.8
[M+H-H2O]+ 419.14946 196.6
[M+HCOO]- 481.15040 214.0
[M+CH3COO]- 495.16605 214.0
[M+Na-2H]- 457.12687 206.3
[M]+ 436.15165 211.3
[M]- 436.15275 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe